N-(1-benzylpiperidin-4-yl)-4-(1,4-diazepan-1-yl)-6-methylpyrimidin-2-amine

C22H32N6 — CID 46225973

IUPACN-(1-benzylpiperidin-4-yl)-4-(1,4-diazepan-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCCNCC2)nc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C22H32N6/c1-18-16-21(28-12-5-10-23-11-15-28)26-22(24-18)25-20-8-13-27(14-9-20)17-19-6-3-2-4-7-19/h2-4,6-7,16,20,23H,5,8-15,17H2,1H3,(H,24,25,26)
InChIKeyUXGQJPXECXRIDT-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.66
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-4-(1,4-diazepan-1-yl)-6-methylpyrimidin-2-amine

N-(1-benzylpiperidin-4-yl)-4-(1,4-diazepan-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 46225973) has the molecular formula C22H32N6 and a molecular weight of 380.54 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-(1,4-diazepan-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-(1,4-diazepan-1-yl)-6-methylpyrimidin-2-amine
PubChem CID46225973
Molecular FormulaC22H32N6
Molecular Weight380.54 g/mol
Exact Mass380.27
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-(1,4-diazepan-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCCNCC2)nc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C22H32N6/c1-18-16-21(28-12-5-10-23-11-15-28)26-22(24-18)25-20-8-13-27(14-9-20)17-19-6-3-2-4-7-19/h2-4,6-7,16,20,23H,5,8-15,17H2,1H3,(H,24,25,26)
InChIKeyUXGQJPXECXRIDT-UHFFFAOYSA-N
XLogP2.66
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Revaprazan
CID 204104
N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine
CID 409805
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
Revaprazan Hydrochloride
CID 204103
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N~2~-benzyl-6-methyl-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine
CID 721060
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(1,4-diazepan-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(1,4-diazepan-1-yl)-6-methylpyrimidin-2-amine (CID 46225973) is N-(1-benzylpiperidin-4-yl)-4-(1,4-diazepan-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-(1,4-diazepan-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-(1,4-diazepan-1-yl)-6-methylpyrimidin-2-amine is Cc1cc(N2CCCNCC2)nc(NC2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-(1,4-diazepan-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is UXGQJPXECXRIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6/c1-18-16-21(28-12-5-10-23-11-15-28)26-22(24-18)25-20-8-13-27(14-9-20)17-19-6-3-2-4-7-19/h2-4,6-7,16,20,23H,5,8-15,17H2,1H3,(H,24,25,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-(1,4-diazepan-1-yl)-6-methylpyrimidin-2-amine?
N-(1-benzylpiperidin-4-yl)-4-(1,4-diazepan-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 380.54 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-(1,4-diazepan-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 46225973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).